3NIP
Crystal structure of Pseudomonas aeruginosa guanidinopropionase complexed with 1,6-diaminohexane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 264.748, 134.719, 87.785 |
| Unit cell angles | 90.00, 104.37, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.19264 |
| Rwork | 0.191 |
| R-free | 0.22690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nio |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.298 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.500 |
| Rmerge | 0.108 |
| Number of reflections | 101621 |
| <I/σ(I)> | 15.8 |
| Completeness [%] | 99.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 297 | 0.1M lithium sulfate, 0.1M tri-sodium citrate at pH 5.6, 12% (w/v) PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
